Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0HR7O
|
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| Former ID |
DNC006181
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| Drug Name |
16-(4-dimethylamino-benzylidene)-estradiol
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C27H33NO2
|
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| Canonical SMILES |
CC12CCC3C(C1CC(=CC4=CC=C(C=C4)N(C)C)C2O)CCC5=C3C=CC(=C5<br />)O
|
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| InChI |
1S/C27H33NO2/c1-27-13-12-23-22-11-9-21(29)15-18(22)6-10-24(23)25(27)16-19(26(27)30)14-17-4-7-20(8-5-17)28(2)3/h4-5,7-9,11,14-15,23-26,29-30H,6,10,12-13,16H2,1-3H3/b19-14+/t23?,24?,25?,26-,27-/m0/s1
|
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| InChIKey |
HUZDSTZYTXBRMO-BACVCVEMSA-N
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Estradiol 17 beta-dehydrogenase 1 | Target Info | Inhibitor | [1] | |
| BioCyc Pathway | Superpathway of steroid hormone biosynthesis | ||||
| Estradiol biosynthesis I | |||||
| KEGG Pathway | Steroid hormone biosynthesis | ||||
| Metabolic pathways | |||||
| Ovarian steroidogenesis | |||||
| NetPath Pathway | FSH Signaling Pathway | ||||
| PANTHER Pathway | Androgen/estrogene/progesterone biosynthesis | ||||
| PathWhiz Pathway | Androgen and Estrogen Metabolism | ||||
| Reactome | The canonical retinoid cycle in rods (twilight vision) | ||||
| WikiPathways | Steroid Biosynthesis | ||||
| Metabolism of steroid hormones and vitamin D | |||||
| Prostate Cancer | |||||
| References | |||||
| REF 1 | J Med Chem. 2006 Feb 23;49(4):1325-45.Modification of estrone at the 6, 16, and 17 positions: novel potent inhibitors of 17beta-hydroxysteroid dehydrogenase type 1. | ||||
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